Home Carboxys 1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid

CAS No.:
956198-12-2
Catalog Number:
AG00IJ8Z
Molecular Formula:
C17H13FN2O3
Molecular Weight:
312.2951
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Product Description
Catalog Number:
AG00IJ8Z
Chemical Name:
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-1H-pyrazole-4-carboxylic acid
CAS Number:
956198-12-2
Molecular Formula:
C17H13FN2O3
Molecular Weight:
312.2951
MDL Number:
MFCD06358033
IUPAC Name:
1-(4-fluorophenyl)-3-(3-methoxyphenyl)pyrazole-4-carboxylic acid
InChI:
InChI=1S/C17H13FN2O3/c1-23-14-4-2-3-11(9-14)16-15(17(21)22)10-20(19-16)13-7-5-12(18)6-8-13/h2-10H,1H3,(H,21,22)
InChI Key:
PWDYHCRMKJBQHC-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nn(cc1C(=O)O)c1ccc(cc1)F
Properties
Complexity:
415  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.091g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
312.3g/mol
Monoisotopic Mass:
312.091g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties